@MOLECULE 8-azido-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.9433 -1.2738 -1.2581 P.3 1 UNL1 0.3577 2 P 4.0539 1.0136 0.4674 P.3 1 UNL1 0.4049 3 P 1.4809 1.4128 2.0326 P.3 1 UNL1 0.3880 4 O -0.9175 -1.4826 0.6865 O.3 1 UNL1 -0.3802 5 O -1.5434 -4.7610 0.6018 O.3 1 UNL1 -0.5552 6 O 1.6872 -1.7197 -0.3479 O.3 1 UNL1 -0.3018 7 O 3.7311 -0.3561 -0.2606 O.3 1 UNL1 -0.2268 8 O 3.8996 -2.5494 -1.1568 O.3 1 UNL1 -0.3314 9 O 2.6889 -0.8737 -2.6284 O.2 1 UNL1 -0.2616 10 O 2.9960 1.2106 1.6067 O.3 1 UNL1 -0.1899 11 O 3.9275 2.1977 -0.5667 O.3 1 UNL1 -0.3141 12 O 5.3761 0.8197 1.0247 O.2 1 UNL1 -0.1460 13 O 0.8094 2.0962 0.7589 O.3 1 UNL1 -0.4065 14 O 0.8384 -0.0113 2.2481 O.3 1 UNL1 -0.3428 15 O 1.4996 2.2141 3.2380 O.2 1 UNL1 -0.1643 16 N -2.8095 -0.3529 -0.0203 N.ar 1 UNL1 -0.3769 17 N -4.2060 1.4348 -0.4346 N.ar 1 UNL1 -0.4019 18 N -0.9245 0.3575 -1.4829 N.ar 1 UNL1 -0.4954 19 N -4.9353 -0.3508 1.1213 N.2 1 UNL1 -0.4240 20 N -1.2861 2.4976 -2.5453 N.ar 1 UNL1 -0.5697 21 N -3.2759 3.7125 -2.3344 N.pl3 1 UNL1 -0.5441 22 N -6.0612 0.1573 1.3580 N.2 1 UNL1 0.4694 23 N -7.1040 0.4210 1.7023 N.2 1 UNL1 -0.1149 24 C -1.5055 -3.6258 -0.2383 C.3 1 UNL1 0.1185 25 C -2.3164 -1.5357 0.7156 C.3 1 UNL1 0.3295 26 C -0.3479 -2.6900 0.1782 C.3 1 UNL1 0.0259 27 C -2.7893 -2.8460 0.0674 C.3 1 UNL1 -0.3687 28 C 0.5603 -2.3380 -1.0066 C.3 1 UNL1 -0.0514 29 C -2.1454 0.4824 -0.9117 C.ar 1 UNL1 0.3059 30 C -4.0502 0.2856 0.2413 C.ar 1 UNL1 0.3669 31 C -3.0254 1.5947 -1.1557 C.ar 1 UNL1 -0.2047 32 C -2.5408 2.6174 -2.0156 C.ar 1 UNL1 0.4620 33 C -0.5481 1.3982 -2.2562 C.ar 1 UNL1 0.2967 34 H -1.4488 -3.9658 -1.2916 H 1 UNL1 0.1305 35 H -2.6135 -1.4157 1.7925 H 1 UNL1 0.1696 36 H 0.2306 -3.0904 1.0440 H 1 UNL1 0.1651 37 H -3.4423 -3.4234 0.7552 H 1 UNL1 0.1935 38 H -3.3936 -2.6749 -0.8396 H 1 UNL1 0.1743 39 H 0.0483 -1.6307 -1.6987 H 1 UNL1 0.1822 40 H 0.8397 -3.2583 -1.5588 H 1 UNL1 0.1197 41 H -0.7858 -5.3528 0.4314 H 1 UNL1 0.3179 42 H 0.4631 1.3420 -2.7088 H 1 UNL1 0.2220 43 H -4.1861 3.8315 -1.9314 H 1 UNL1 0.3281 44 H -2.8981 4.4314 -2.9206 H 1 UNL1 0.3254 45 H 4.2514 -2.6305 -0.1945 H 1 UNL1 0.3193 46 H 2.9278 2.3843 -0.7424 H 1 UNL1 0.3307 47 H 0.0715 1.5112 0.3769 H 1 UNL1 0.3236 48 H 0.8872 -0.5716 1.3859 H 1 UNL1 0.3451 @BOND 1 44 21 1 2 42 33 1 3 9 1 2 4 20 33 ar 5 20 32 ar 6 21 32 1 7 21 43 1 8 33 18 ar 9 32 31 ar 10 39 28 1 11 40 28 1 12 18 29 ar 13 34 24 1 14 1 8 1 15 1 6 1 16 1 7 1 17 8 45 1 18 31 29 ar 19 31 17 ar 20 28 6 1 21 28 26 1 22 29 16 ar 23 38 27 1 24 46 11 1 25 11 2 1 26 17 30 ar 27 7 2 1 28 24 27 1 29 24 26 1 30 24 5 1 31 16 30 ar 32 16 25 1 33 27 25 1 34 27 37 1 35 26 4 1 36 26 36 1 37 30 19 1 38 47 13 1 39 41 5 1 40 2 12 2 41 2 10 1 42 4 25 1 43 25 35 1 44 13 3 1 45 19 22 2 46 22 23 2 47 48 14 1 48 10 3 1 49 3 14 1 50 3 15 2